(13S,17R)-21,23-Epoxy-4,5alpha,5',6beta-Tetrahydro-4beta,8-Dimethyl-24-Norchol-5-Eno[6,5,4-bc]Furan-14,20,22-Triene-1alpha,3alpha,7alpha-Triol
[CAS# 53060-61-0]

Identification

• Name: (13S,17R)-21,23-Epoxy-4,5alpha,5',6beta-Tetrahydro-4beta,8-Dimethyl-24-Norchol-5-Eno[6,5,4-bc]Furan-14,20,22-Triene-1alpha,3alpha,7alpha-Triol
• Molecular Formula: C₂₆H₃₆O₅
• Molecular Weight: 428.57
• CAS Registry Number: 53060-61-0
• SMILES: C6=C(C1C5(C(=CC1)C4(C(C2(C3C(C(O)CC2O)(COC3C4O)C)C)CC5)C)C)C=CO6
• InChI: 1S/C26H36O5/c1-23-9-7-17-25(3,16(23)6-5-15(23)14-8-10-30-12-14)22(29)20-21-24(2,13-31-20)18(27)11-19(28)26(17,21)4/h6,8,10,12,15,17-22,27-29H,5,7,9,11,13H2,1-4H3
• InChIKey: ISOLELCWKGNNOX-UHFFFAOYSA-N

Properties

• Density: 1.281g/cm³ (Cal.)
• Boiling point: 564.905°C at 760 mmHg (Cal.)
• Flash point: 295.444°C (Cal.)